CID 164176

8-chloro-4-(2-chlorophenoxy)quinoline

Structural Information

Molecular Formula
C15H9Cl2NO
SMILES
C1=CC=C(C(=C1)OC2=C3C=CC=C(C3=NC=C2)Cl)Cl
InChI
InChI=1S/C15H9Cl2NO/c16-11-5-1-2-7-14(11)19-13-8-9-18-15-10(13)4-3-6-12(15)17/h1-9H
InChIKey
PPBLHEIIFPJHNN-UHFFFAOYSA-N
Compound name
8-chloro-4-(2-chlorophenoxy)quinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

289.00613 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.013406 159.4
[M+Na]+ 311.995348 170.9
[M-H]- 287.998854 165.1
[M+NH4]+ 307.039953 176.1
[M+K]+ 327.969288 163.7
[M+H-H2O]+ 272.003390 152.0
[M+HCOO]- 334.004331 172.3
[M+CH3COO]- 348.019981 171.8
[M+Na-2H]- 309.980796 166.6
[M]+ 289.00558142 164.1
[M]- 289.00667858 164.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe